(3-chloro-4-fluorophenyl)-(4-methylsulfonylphenyl)methanone

C14H10ClFO3S — CID 21262863

IUPAC(3-chloro-4-fluorophenyl)-(4-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C14H10ClFO3S/c1-20(18,19)11-5-2-9(3-6-11)14(17)10-4-7-13(16)12(15)8-10/h2-8H,1H3
InChIKeyBKDSLDOXDUSSCK-UHFFFAOYSA-N
MW312.75 g/mol
LogP3.11
Rot. Bonds3

About (3-chloro-4-fluorophenyl)-(4-methylsulfonylphenyl)methanone

(3-chloro-4-fluorophenyl)-(4-methylsulfonylphenyl)methanone (PubChem CID 21262863) has the molecular formula C14H10ClFO3S and a molecular weight of 312.75 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-(4-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-(4-methylsulfonylphenyl)methanone
PubChem CID21262863
Molecular FormulaC14H10ClFO3S
Molecular Weight312.75 g/mol
Exact Mass312.00
IUPAC Name(3-chloro-4-fluorophenyl)-(4-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C14H10ClFO3S/c1-20(18,19)11-5-2-9(3-6-11)14(17)10-4-7-13(16)12(15)8-10/h2-8H,1H3
InChIKeyBKDSLDOXDUSSCK-UHFFFAOYSA-N
XLogP3.11
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-difluorophenyl)-(4-methylsulfonylphenyl)methanone
CID 21262866
bis(3-chloro-4-fluorophenyl)methanone
CID 2740703
2-chloro-1-fluoro-4-(4-methylsulfonylphenyl)benzene
CID 70265699
(2E)-2-[(3-chloro-4-fluorophenyl)-(4-methylsulfonylphenyl)methylidene]-4-hydroxybutanoic acid
CID 70341639
(3-chloro-4-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 55186407
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone
CID 113254895
(2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanone
CID 43337472
(4-butan-2-ylphenyl)-(3-chloro-4-fluorophenyl)methanone
CID 82874721
(4-methylsulfonylphenyl)-(4-propan-2-ylphenyl)methanone
CID 43625045
(3-methylphenyl)-(4-methylsulfonylphenyl)methanone
CID 21262973
(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanone
CID 24723405
(3-chloro-4-fluorophenyl)-(3-iodophenyl)methanone
CID 24723076

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-(4-methylsulfonylphenyl)methanone?
The IUPAC name of (3-chloro-4-fluorophenyl)-(4-methylsulfonylphenyl)methanone (CID 21262863) is (3-chloro-4-fluorophenyl)-(4-methylsulfonylphenyl)methanone.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-(4-methylsulfonylphenyl)methanone?
The canonical SMILES for (3-chloro-4-fluorophenyl)-(4-methylsulfonylphenyl)methanone is CS(=O)(=O)c1ccc(C(=O)c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of (3-chloro-4-fluorophenyl)-(4-methylsulfonylphenyl)methanone?
The InChIKey is BKDSLDOXDUSSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO3S/c1-20(18,19)11-5-2-9(3-6-11)14(17)10-4-7-13(16)12(15)8-10/h2-8H,1H3.
What are the key properties of (3-chloro-4-fluorophenyl)-(4-methylsulfonylphenyl)methanone?
(3-chloro-4-fluorophenyl)-(4-methylsulfonylphenyl)methanone has a molecular weight of 312.75 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-(4-methylsulfonylphenyl)methanone is sourced from PubChem (CID 21262863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).